Information card for entry 4323742

Structure parameters

• Common name: Zn(II)tTEtTPP(pyr)
• Chemical name: (Pyridine)(2,3,12,13-Tetraethyl-5,10,15,20-tetraphenyl- porphyrinato)zinc(II)
• Formula: C57 H49.8 N5 O0.4 Zn
• Calculated formula: C57 H44 N5 O0.4 Zn
• Title of publication: Synthesis and Structural Characterization of Nonplanar Tetraphenylporphyrins and Their Metal Complexes with Graded Degrees of β-Ethyl Substitution
• Authors of publication: Mathias O. Senge; Werner W. Kalisch
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 6103 - 6116
• a: 12.8 ± 0.004 Å
• b: 13.985 ± 0.006 Å
• c: 14.152 ± 0.005 Å
• α: 85.08 ± 0.03°
• β: 68.22 ± 0.03°
• γ: 72.6 ± 0.03°
• Cell volume: 2243.9 ± 1.6 ų
• Cell temperature: 126 ± 2 K
• Ambient diffraction temperature: 126 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections: 0.1615
• Weighted residual factors for significantly intense reflections: 0.1486
• Goodness-of-fit parameter for all reflections: 1.028
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No